AF-399/14944034
TL;DR: AF-399/14944034 (CAS 315692-83-2) is a chemical compound with molecular formula C21H27F3N2O3S and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
Also Known As: AF-399/14944034, 7,7-dimethyl-1-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)methyl]bicyclo[2.2.1]heptan-2-one, 7,7-Dimethyl-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one, 7,7-DIMETHYL-1-(((4-(3-(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)SULFONYL)METHYL)BICYCLO[2.2.1]HEPTAN-2-ONE, 7,7-dimethyl-1-[({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}sulfonyl)methyl]bicyclo[2.2.1]heptan-2-one
| Molecular Formula | C21H27F3N2O3S |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 3.5526 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.16943 |
| Heavy Atoms | 30 |
| Complexity | 952.4884 |
Chemical Identifiers
| CAS Number | 315692-83-2 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C |
Product Overview
AF-399/14944034 (CAS 315692-83-2), with molecular formula C21H27F3N2O3S and molecular weight 444.17 g/mol. IUPAC: 7,7-dimethyl-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of AF-399/14944034
Property Insights of AF-399/14944034
The XLogP value of 3.5526 indicates that AF-399/14944034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, AF-399/14944034 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/14944034 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/14944034?
The CAS number of AF-399/14944034 is 315692-83-2.
What is the molecular formula of AF-399/14944034?
The molecular formula of AF-399/14944034 is C21H27F3N2O3S.
What is the molecular weight of AF-399/14944034?
The molecular weight of AF-399/14944034 is 444.17 g/mol.
Where can I buy AF-399/14944034?
You can request a quote for AF-399/14944034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/14944034?
Yes, KEHONG BIO provides custom synthesis services for AF-399/14944034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.